5-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide

C18H16ClN3O2 — CID 155753632

IUPAC5-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Cc3ccc(Cl)cc3)[nH]n2)cc1
InChIInChI=1S/C18H16ClN3O2/c1-24-16-8-6-14(7-9-16)20-18(23)17-11-15(21-22-17)10-12-2-4-13(19)5-3-12/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyMUDHWPGBHLCPSJ-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.91
Rot. Bonds5

About 5-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide

5-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide (PubChem CID 155753632) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide
PubChem CID155753632
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name5-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Cc3ccc(Cl)cc3)[nH]n2)cc1
InChIInChI=1S/C18H16ClN3O2/c1-24-16-8-6-14(7-9-16)20-18(23)17-11-15(21-22-17)10-12-2-4-13(19)5-3-12/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyMUDHWPGBHLCPSJ-UHFFFAOYSA-N
XLogP3.91
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide (CID 155753632) is 5-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide is COc1ccc(NC(=O)c2cc(Cc3ccc(Cl)cc3)[nH]n2)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is MUDHWPGBHLCPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-24-16-8-6-14(7-9-16)20-18(23)17-11-15(21-22-17)10-12-2-4-13(19)5-3-12/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 5-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide?
5-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 155753632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).